N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C20H13F3N4O — CID 109164420

IUPACN-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)cc1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)15-2-1-3-17(10-15)26-18-9-6-14(12-25-18)19(28)27-16-7-4-13(11-24)5-8-16/h1-10,12H,(H,25,26)(H,27,28)
InChIKeyCWTCZXRESYAZFR-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.97
Rot. Bonds4

About N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109164420) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109164420
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC NameN-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)cc1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)15-2-1-3-17(10-15)26-18-9-6-14(12-25-18)19(28)27-16-7-4-13(11-24)5-8-16/h1-10,12H,(H,25,26)(H,27,28)
InChIKeyCWTCZXRESYAZFR-UHFFFAOYSA-N
XLogP4.97
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
N-(3-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109165005
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157
6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163836
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050
N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
CID 109164780

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109164420) is N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is CWTCZXRESYAZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)15-2-1-3-17(10-15)26-18-9-6-14(12-25-18)19(28)27-16-7-4-13(11-24)5-8-16/h1-10,12H,(H,25,26)(H,27,28).
What are the key properties of N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109164420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).